Molecular basis of COVID-19 pathogenesis and in silico studies of potential pharmacological treatment

Cabanillas, Eduardo Rubén Lam; Risco, Anthony Omar León; Risco, Kevyn Bryce León; Hoyos, Gaby Lisbeth Llamo; Zavaleta, Rosa María López; Tirado, Estefanía del Rocío Luzuriaga; Blas, Alex Michael Mendoza; Huamán-Saavedra, Juan Jorge

doi:10.25176/rfmh.v21i1.3327

Cited by 6 publications

(1 citation statement)

References 64 publications

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“…Por apresentar como genoma um RNA de fita simples e polaridade positiva, esse vírus pode ser imediatamente traduzido a nível dos ribossomos da célula hospedeira. A tradução inicial do RNA viral, mediante a extremidade 5', onde estão codificadas as ORF 1a e ORF 1b dará origem há duas poliproteínas denominadas pp1a e pp1b, que contém 16 NSP (16 proteínas não estruturais), elas desempenham um papel essencial na replicação do vírus dentro das células hospedeiras e alguns deles são alvo de várias drogas em desenvolvimento (Cabanillas et al, 2021;Rabaan et al, 2020).…”

Section: Introductionunclassified

Estudo in silico de fitoquímicos na região Receptor-Binding Domain (RBD) da proteína spike do SARS-CoV-2 (variante Ômicron, B.1.1.529)

Braz

Souza

Soares

et al. 2022

RSD

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COVID-19 é uma doença altamente contagiosa causada pelo coronavírus da síndrome respiratória aguda grave 2 (SARS-CoV-2) tornando-se uma grande ameaça em todo o mundo devido à sua rápida natureza de disseminação e variantes mais agressivas, como o caso da Ômicron. A principal estrutura de interação do vírus com a célula hospedeira é a região de pico da proteína Spike chamada de RBD, uma estrutura que teve diversas mutações, dificultando a busca de fármacos. Com base nesse cenário, o presente trabalho teve como objetivo avaliar o perfil de interações entre moléculas de origem naturais frente a região RBD da proteína Spike (S) do SARS-CoV-2, variante Ômicron. Na primeira etapa metodológica ocorreu uma modelagem molecular da estrutura RBD de sequência obtida no Brasil e testes para sua caracterização e validação estrutural. Em seguida, foi realizado o docking molecular entre 6 ligantes fitoquímicos: Curcumina, Carvacrol (±)-Limoneno, Glicirrizina, Alicina e Quercetina-3-Arabinoside na região específica RBD modelada, após obter os melhores resultados, os complexos formados foram avaliados por RMSD e RMSF. Na homologia da região RBD obteve-se uma estrutura com baixos erros estruturais. Nas interações de cada fitoquímico, as moléculas glicirrizina e quercetina apresentaram maior afinidade molecular, ligando-se ao sítio ativo encontrado na RBD. A dinâmica molecular confirmou a interação dos ligantes e a estabilidade dos complexos durante as simulações. A quercetina e glicirrizina apresentaram um potencial molécula ligando-se à região RBD da proteína S, a partir do genoma da variante ômicron inédita do SARS-CoV-2 sequenciada no Brasil.

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Section: Introductionunclassified

Estudo in silico de fitoquímicos na região Receptor-Binding Domain (RBD) da proteína spike do SARS-CoV-2 (variante Ômicron, B.1.1.529)

Braz

Souza

Soares

et al. 2022

RSD

View full text Add to dashboard Cite

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Socio-demographic Heterogeneity in Prevalence of SARS-COV-2 Infection and Death Rate: Relevance to Black College Student Knowledge of COVID-19 and SARS-COV-2

Emrani

Hefner

2022

J. Racial and Ethnic Health Disparities

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Black and Brown communities are affected disproportionately by COVID-19. In an attempt to learn if young Black college students unknowingly contribute to the spread of the COVID-19 in their communities, using surveys, this pilot study gauges the general safety knowledge and basic scientific knowledge of Black college students about SARS-COV-2 virus and COVID-19 at an HBCU. We also investigated whether students enrolled in chemistry courses designed for STEM (Science, Technology, and Engineering Majors) majors displayed increased knowledge of SARS-COV-2 and COVID-19 in comparison to their non-STEM major peers. Two sets of surveys with multiple choice questions, one with 25 and the other with 34 questions, were designed to assess general safety knowledge and basic scientific knowledge of the students about COVID-19 and the SARS-COV-2 virus. Survey questions were administered through Blackboard learning management system to one hundred eighty-seven (187) students in the summer of 2020 to two freshman non-science majors and in the fall of 2020 to one freshman non-science-major class, two freshmen STEM-major classes, and one senior STEM-major class. All students self-registered in the 6 chemistry classes at North Carolina A&T State University at random with no predetermined criteria. Results of the study show that regardless of their year of study, majority (> 90%) of the students possess basic scientific knowledge and are aware of the safety precautions concerning SARS-COV-2 virus and COVID-19. Majority of non-science major freshmen answered the basic safety questions correctly but were not able to choose the correct answers for the more specific scientific questions concerning SARS-COV-2 and COVID-19. Surprisingly, there was no significant difference in basic scientific knowledge regarding SARS-COV-2 and COVID-19 between STEM and non-STEM student populations, and first year STEM students were just as knowledgeable as senior STEM students. Based on these data, we speculate that students surveyed here have an acceptable basic understanding of how SARS-CoV-2 is transmitted, and therefore, they may not be a source of COVID-19 transmission to Black and Brown communities as this study confirms they are receiving accurate information about SARS-COV-2 and COVID-19. Possession of crucial timely and accurate knowledge about the health and safety is important in fighting racism and to gain equity within the society at large. By sharing the acquired knowledge, students can serve as positive role models for others in the community thus encouraging them to pursue science. Education brings equity, sharing the acquired knowledge encourages others to continue their education and succeed in obtaining higher degrees and better jobs as remedies for social inequality. Spread of accurate knowledge on various aspects of COVID-19 will also help remove fears of vaccination and hesitation towards visits to health clinics to resolve health issues. Relying on the results of this pilot study, we plan to explore these important factors fur...

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Understanding the molecular basis of pathogenesis of SARS-CoV-2

Parveen,

Badar,

Khan

et al. 2024

Diagnosis and Analysis of COVID-19 Using Artificial Intelligence and Machine Learning-Based Techniques

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Molecular basis of COVID-19 pathogenesis and in silico studies of potential pharmacological treatment

Abstract: Bases moleculares de la patogénesis de COVID-19 y estudios in silico de posibles tratamientos farmacológicos.

Cited by 6 publications

References 64 publications

Estudo in silico de fitoquímicos na região Receptor-Binding Domain (RBD) da proteína spike do SARS-CoV-2 (variante Ômicron, B.1.1.529)

Estudo in silico de fitoquímicos na região Receptor-Binding Domain (RBD) da proteína spike do SARS-CoV-2 (variante Ômicron, B.1.1.529)

Socio-demographic Heterogeneity in Prevalence of SARS-COV-2 Infection and Death Rate: Relevance to Black College Student Knowledge of COVID-19 and SARS-COV-2

Understanding the molecular basis of pathogenesis of SARS-CoV-2

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